4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C10H17NO3 — CID 103495905

IUPAC4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)C1CC1
InChIInChI=1S/C10H17NO3/c1-6(7(2)10(13)14)9(12)11(3)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyAKKJJIGGOCMPCE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds4

About 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103495905) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103495905
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)C1CC1
InChIInChI=1S/C10H17NO3/c1-6(7(2)10(13)14)9(12)11(3)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyAKKJJIGGOCMPCE-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
2,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103497623
4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496341
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
N-cyclopropyl-2-methoxy-N-methylpropanamide
CID 115593382
N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107022355
N-cyclopropyl-N-methyl-2-(methylamino)propanamide
CID 62637829
3-[(4-ethylcyclohexyl)-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897738
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid
CID 115179269
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103495905) is 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(C)C1CC1.
What is the InChIKey of 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is AKKJJIGGOCMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(7(2)10(13)14)9(12)11(3)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103495905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).